SCHEMBL301501

SCHEMBL301501

Cc1ccc(C2CC2C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.81
ALDH1A1 P00352 5/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
FFAR4 Q5NUL3 4/20 0.53
TDP1 Q9NUW8 1/20 0.51
IDO1 P14902 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
HDAC4 P56524 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4209116 1.00 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL19628622 1.00 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12466620 1.00 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL799468 1.00 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4203114 1.00 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12646402 0.94 FFAR1 (0.73) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1550383 0.90 FFAR1 (1.00) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21845792 0.84 ALDH1A1 (0.64) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL799523 0.84 ALDH1A1 (0.64) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16232159 0.84 ALDH1A1 (0.64) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036473-A1 NOVEL QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-02-05 US claimed
EP-1996560-A1 QUINAZOLINONES AND THEIR USE AS POTASSIUM CHANNELS ACTIVATORS NeuroSearch A/S (DK) 2008-12-03 EP claimed
WO-2007104717-A1 QUINAZOLINONES AND THEIR USE AS POTASSIUM CHANNELS ACTIVATORS NEUROSEARCH A/S (DK) 2007-09-20 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-11655226-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2023-05-23 US disclosed
WO-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
US-7790758-B2 glutamate receptors agonists; especially to treat psychotic conditions, including schizophrenia and enhancement of cognition; N-{-2-[4-(6-fluoro-3-pyridinyl)phenyl]cyclopropyl}-2-propanesulfonamide; stereoselectively epoxidising a suitable styrene; coupling with boronic acid derivatives GLAXO GROUP LIMITED (GB) 2010-09-07 US disclosed
US-20090036473-A1 NOVEL QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-02-05 US disclosed
EP-1996560-A1 QUINAZOLINONES AND THEIR USE AS POTASSIUM CHANNELS ACTIVATORS NeuroSearch A/S (DK) 2008-12-03 EP disclosed
US-20080167351-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-07-10 US disclosed
WO-2007104717-A1 QUINAZOLINONES AND THEIR USE AS POTASSIUM CHANNELS ACTIVATORS NEUROSEARCH A/S (DK) 2007-09-20 WO disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036473-A1 NOVEL QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNK17, KCNN3, KCNA7 FFAR1 2816/4885ALDH1A1 2372/4885CYP1A2 999/4885
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG FFAR1 4727/4885ALDH1A1 3259/4885CYP1A2 724/4885
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 FFAR1 4743/4885ALDH1A1 2036/4885CYP1A2 1179/4885
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 FFAR1 1548/4885ALDH1A1 308/4885CYP1A2 38/4885
US-20080167351-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GRIN1, GRM2, GRM1 FFAR1 91/4885ALDH1A1 1604/4885CYP1A2 2732/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 FFAR1 4637/4885ALDH1A1 2100/4885CYP1A2 906/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA FFAR1 58/4885ALDH1A1 1698/4885CYP1A2 256/4885
US-11655226-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A FFAR1 4334/4885ALDH1A1 734/4885CYP1A2 3176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.